Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 101.492, 101.492, 78.159 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.310 - 1.550 |
R-factor | 0.1298 |
Rwork | 0.128 |
R-free | 0.17470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | generic Fab |
RMSD bond length | 0.012 |
RMSD bond angle | 1.681 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.7.17) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.310 | 38.310 | 1.580 |
High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
Rmerge | 0.091 | 0.057 | 1.757 |
Rmeas | 0.093 | 0.059 | 1.822 |
Rpim | 0.021 | 0.015 | 0.475 |
Total number of observations | 1276211 | 7419 | 47508 |
Number of reflections | 67630 | 467 | 3319 |
<I/σ(I)> | 17.2 | 45.4 | 2.5 |
Completeness [%] | 100.0 | 99.1 | 99.9 |
Redundancy | 18.9 | 15.9 | 14.3 |
CC(1/2) | 0.999 | 0.998 | 0.465 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Equal volumes of a protein (in 25 mM Tris (pH 8.0), 100 mM NaCl) and well solution (1.5 M NaH2PO4.H2O.K2HPO4, pH 8.0) were combined. |